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Charged porous polymer membranes (CPMs) emerging as a multifunctional platform for diverse applications in chemistry, materials science, and biomedicine have been attracting widespread attention. Fabrication of CPMs in a controllable manner…
Visualising the free surface of superfluid helium offers a rare opportunity to explore wave dynamics in the limit of vanishing viscosity. Such measurements are nonetheless challenging due to helium's low refractive index contrast,…
The low temperature physics of parahydrogen (ph2) confined in cylindrical channels of diameter of the order of 1 nm is studied theoretically by Quantum Monte Carlo simulations. On varying the attractive strength of the wall of the…
Using a path-integral Monte Carlo method for simulating superfluid quantum films, we investigate helium layers adsorbed on a substrate consisting of graphite plus two solid helium layers. Our results for the promotion densities and the…
We investigate by Monte Carlo simulations the structure, energetics and superfluid properties of thin helium-four films (up to four layers) on a glass substrate, at low temperature. The first adsorbed layer is found to be solid and "inert",…
Three-dimensional mapping of surface structures is important in a wide range of biological, technological, healthcare and research applications, including taxonomy, microfluidics and fabrication. Neutral helium atom beams have been…
This study introduces an open-source computational framework for the generation and permeability evaluation of synthetic porous media. The proposed methodology integrates crystallographic and meshing tools to construct controlled…
The structure of water confined in MCM41 silica cylindrical pores is studied to determine if confined water really is simply a version of the bulk liquid which can be substantially supercooled without crystallisation. A combination of total…
Mesoporous silica particles have been synthesized by sol-gel method from tetraethoxysilane (tetraethylorthosilicate, TEOS) and methyltriethoxysilane (MTES), in ethanol and water mixture, at different ratios of the of the silica precursors.…
Gallium-based liquid metal is getting increased attention in conformal flexible electronics for its high electrical conductivity, intrinsic deformability and biocompatibility. A series of flexible devices are developed based on the…
In one of the most celebrated examples of the theory of universal critical phenomena, the phase transition to the superfluid state of $^{4}$He belongs to the same three dimensional $\mathrm{O}(2)$ universality class as the onset of…
It is widely agreed that phase change materials (PCMs) are of high interest for sustainable energy future. Many of the applications require anti-leakage properties of PCM, that can be accomplished through PCM encapsulation. In this study,…
In this thesis, a computational framework for microstructural modelling of transverse behaviour of heterogeneous materials is presented. The context of this research is part of the broad and active field of Computational Micromechanics,…
Helium is recognized as a model system for the study of phase transitions. Of particular interest is the superfluid phase in two dimensions. We report measurements on superfluid helium films adsorbed on the surface of a suspended carbon…
A new three-dimensional (3D) multiphase computational fluid dynamics (CFD) model for adsorption physics in packed beds of spherical beads is developed and validated. The model is constituted at a macroscopic scale that integrates new…
Solid-state nanopores, nm-sized holes in thin, freestanding membranes, are powerful single-molecule sensors capable of interrogating a wide range of target analytes, from small molecules to large polymers. Interestingly, due to their high…
The properties of hot dense helium at megabar pressures were studied with two first-principles computer simulation techniques, path integral Monte Carlo and density functional molecular dynamics. The simulations predicted that the…
The study of the adsorption phenomenon of helium began many decades ago with the discovery of graphite as a homogeneous substrate for investigation of physically adsorbed monolayer films. In particular, helium monoatomic layers on graphite…
The flow of liquid helium through a single nanohole with radius smaller than 25 nm was studied for the first time. Mass flow was induced by applying a pressure difference of up to 1.4 bar across a 50 nm thick Si3N4 membrane and was measured…
DeePore is a deep learning workflow for rapid estimation of a wide range of porous material properties based on the binarized micro-tomography images. By combining naturally occurring porous textures we generated 17700 semi-real 3-D…